(2E,4E)-nonadeca-2,4-dienedioic acid

C19H32O4 — CID 87405159

IUPAC(2E,4E)-nonadeca-2,4-dienedioic acid
SMILESO=C(O)/C=C/C=C/CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H32O4/c20-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(22)23/h10,12,14,16H,1-9,11,13,15,17H2,(H,20,21)(H,22,23)/b12-10+,16-14+
InChIKeyUPXZQRFCEDBVQW-PQSJUVMFSA-N
MW324.46 g/mol
LogP5.34
Rot. Bonds16

About (2E,4E)-nonadeca-2,4-dienedioic acid

(2E,4E)-nonadeca-2,4-dienedioic acid (PubChem CID 87405159) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is (2E,4E)-nonadeca-2,4-dienedioic acid.

Molecular Properties

Compound Name(2E,4E)-nonadeca-2,4-dienedioic acid
PubChem CID87405159
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name(2E,4E)-nonadeca-2,4-dienedioic acid
SMILESO=C(O)/C=C/C=C/CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C19H32O4/c20-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(22)23/h10,12,14,16H,1-9,11,13,15,17H2,(H,20,21)(H,22,23)/b12-10+,16-14+
InChIKeyUPXZQRFCEDBVQW-PQSJUVMFSA-N
XLogP5.34
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-undeca-2,4-dienedioic acid
CID 87404972
(2E,4E,6E,8E)-octadeca-2,4,6,8-tetraenedioic acid
CID 87404974
nonadeca-2,4,6-trienedioic acid
CID 123861344
(2E,4E,6E)-heptadeca-2,4,6-trienedioic acid
CID 87404781
tetradeca-2,4,6-trienedioic acid
CID 123267309
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(Z)-undec-2-enedioic acid
CID 59435158
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
(33Z)-octatetraconta-2,33-dienedioic acid
CID 87703838
(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(Z)-tetracos-15-enoic acid
CID 118104873
(2E,4Z)-13-oxotrideca-2,4-dienoic acid
CID 177426996
docosa-2,4,6,8,10-pentaenoic acid;(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid
CID 87118761

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-nonadeca-2,4-dienedioic acid?
The IUPAC name of (2E,4E)-nonadeca-2,4-dienedioic acid (CID 87405159) is (2E,4E)-nonadeca-2,4-dienedioic acid.
What is the SMILES notation for (2E,4E)-nonadeca-2,4-dienedioic acid?
The canonical SMILES for (2E,4E)-nonadeca-2,4-dienedioic acid is O=C(O)/C=C/C=C/CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of (2E,4E)-nonadeca-2,4-dienedioic acid?
The InChIKey is UPXZQRFCEDBVQW-PQSJUVMFSA-N. The full InChI is InChI=1S/C19H32O4/c20-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(22)23/h10,12,14,16H,1-9,11,13,15,17H2,(H,20,21)(H,22,23)/b12-10+,16-14+.
What are the key properties of (2E,4E)-nonadeca-2,4-dienedioic acid?
(2E,4E)-nonadeca-2,4-dienedioic acid has a molecular weight of 324.46 g/mol, XLogP of 5.34, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-nonadeca-2,4-dienedioic acid is sourced from PubChem (CID 87405159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).